Keyword(s): Human Metabolites
Molecule Category Salt-form
EPA CompTox DTXSID60964331

Structure

InChI Key CIIDVPBPKJUNNK-UHFFFAOYSA-M
Smiles [Cl-].C=1C=CC(=CC1)CN2C3=[N+](CCC2)CCCCC3
InChI
InChI=1/C16H23N2.ClH/c1-3-8-15(9-4-1)14-18-13-7-12-17-11-6-2-5-10-16(17)18;/h1,3-4,8-9H,2,5-7,10-14H2;1H/q+1;/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H23N2
Molecular Weight 278.15
AlogP -0.12
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 6.25
Heavy Atoms 19.0

Cross References

Resources Reference
CAS NUMBER 49663-94-7
NORMAN SUSDAT
PubChem 6452152